SCHEMBL4774962

SCHEMBL4774962

O=C(O)CC(O)(CC(=O)OCCCCO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ACHE P22303 6/20 0.36
KDM4E B2RXH2 6/20 0.33
LMNA P02545 5/20 0.33
MEN1 O00255 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
KMT2A Q03164 3/20 0.33
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NAAA Q02083 1/20 0.32
TSHR P16473 2/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TP53 P04637 2/20 0.31
CYP2C9 P11712 2/20 0.31
MAPK1 P28482 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1550224 0.98 ALDH1A1 (0.50) ALDH1A1ACHEKDM4ELMNAMEN1
SCHEMBL15512661 0.98 ALDH1A1 (0.50) ALDH1A1ACHEKDM4ELMNAMEN1
SCHEMBL15512157 0.98 ALDH1A1 (0.50) ALDH1A1ACHEKDM4ELMNAMEN1
SCHEMBL10793332 0.98 ALDH1A1 (0.50) ALDH1A1ACHEKDM4ELMNAMEN1
SCHEMBL18190065 0.98 ALDH1A1 (0.50) ALDH1A1ACHEKDM4ELMNAMEN1
SCHEMBL3799843 0.98 ALDH1A1 (0.50) ALDH1A1ACHEKDM4ELMNAMEN1
SCHEMBL3461348 0.95 ALDH1A1 (0.54) ALDH1A1ACHEKDM4ELMNAMEN1
Ethylene Glycol SCHEMBL426064 0.95 ALDH1A1 (0.54) ALDH1A1ACHEKDM4ELMNAMEN1
SCHEMBL426065 0.93 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAMEN1CYP1A2
Ethylene Glycol SCHEMBL426259 0.91 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMEN1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117224730-A Photo-curing bioactive poly (citrate) -based polyurethane medical adhesive and preparation method thereof 武汉理工大学 2023-12-15 CN disclosed
EP-2705879-B1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION HENKEL AG & CO KGAA (DE) 2017-06-07 EP disclosed
EP-2480192-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2016-01-13 EP disclosed
EP-2480193-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2015-08-19 EP disclosed
EP-2705879-A1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION Henkel AG&Co. KGAA (DE) 2014-03-12 EP disclosed
WO-2008004774-A1 MANUFACTURING METHOD OF GALLOCATECHIN GALLATE BY EPIMERIZATION OF EPIGALLOCATECHIN-3-GALLATE AMOREPACIFIC CORPORATION (KR) 2008-01-10 WO disclosed